USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 529 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 31 THR OG1 : rot -129:sc= 1.04 USER MOD Set 1.2: A 46 THR OG1 : rot -150:sc= 0.901 USER MOD Single : A 1 MET CE :methyl 138:sc= -0.213 (180deg=-0.854) USER MOD Single : A 5 GLN : amide:sc= 0.709 K(o=0.71,f=-3.3!) USER MOD Single : A 6 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.023) USER MOD Single : A -3 ILE N :NH3+ -177:sc= -0.472 (180deg=-0.52) USER MOD Single : A 10 CYS SG : rot 163:sc= 0.858 USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 22 GLN :FLIP amide:sc= 0 F(o=-0.97,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 134:sc= 1.78 (180deg=0.31) USER MOD Single : A 26 GLN : amide:sc= -1.6! C(o=-1.6!,f=-6.3!) USER MOD Single : A 29 GLN : amide:sc= -0.0208 K(o=-0.021,f=-0.99) USER MOD Single : A 34 LYS NZ :NH3+ -136:sc= 0.203 (180deg=-0.516) USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot 70:sc= -0.0181 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 37:sc= 0.102 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 181 N ILE A -3 46.213 8.222 30.316 1.00 0.00 N ATOM 182 CA ILE A -3 46.712 8.446 28.967 1.00 0.00 C ATOM 183 C ILE A -3 47.877 9.432 28.928 1.00 0.00 C ATOM 184 O ILE A -3 48.677 9.397 28.004 1.00 0.00 O ATOM 185 CB ILE A -3 45.593 8.928 28.014 1.00 0.00 C ATOM 186 CG1 ILE A -3 44.937 10.211 28.545 1.00 0.00 C ATOM 187 CG2 ILE A -3 44.555 7.830 27.826 1.00 0.00 C ATOM 188 CD1 ILE A -3 43.884 10.791 27.622 1.00 0.00 C ATOM 0 H1 ILE A -3 45.458 7.508 30.293 1.00 0.00 H new ATOM 0 H2 ILE A -3 46.989 7.886 30.922 1.00 0.00 H new ATOM 0 H3 ILE A -3 45.836 9.112 30.699 1.00 0.00 H new ATOM 0 HA ILE A -3 47.077 7.478 28.624 1.00 0.00 H new ATOM 0 HB ILE A -3 46.038 9.156 27.046 1.00 0.00 H new ATOM 0 HG12 ILE A -3 44.481 10.001 29.513 1.00 0.00 H new ATOM 0 HG13 ILE A -3 45.711 10.960 28.713 1.00 0.00 H new ATOM 0 HG21 ILE A -3 43.772 8.181 27.153 1.00 0.00 H new ATOM 0 HG22 ILE A -3 45.032 6.948 27.399 1.00 0.00 H new ATOM 0 HG23 ILE A -3 44.117 7.575 28.791 1.00 0.00 H new ATOM 0 HD11 ILE A -3 43.468 11.695 28.067 1.00 0.00 H new ATOM 0 HD12 ILE A -3 44.337 11.035 26.661 1.00 0.00 H new ATOM 0 HD13 ILE A -3 43.089 10.061 27.473 1.00 0.00 H new ATOM 200 N GLU A -2 47.979 10.287 29.944 1.00 0.00 N ATOM 201 CA GLU A -2 49.059 11.276 30.015 1.00 0.00 C ATOM 202 C GLU A -2 50.428 10.588 30.008 1.00 0.00 C ATOM 203 O GLU A -2 51.407 11.119 29.470 1.00 0.00 O ATOM 204 CB GLU A -2 48.908 12.133 31.276 1.00 0.00 C ATOM 205 CG GLU A -2 49.934 13.250 31.401 1.00 0.00 C ATOM 206 CD GLU A -2 49.762 14.053 32.669 1.00 0.00 C ATOM 207 OE1 GLU A -2 48.994 15.034 32.656 1.00 0.00 O ATOM 208 OE2 GLU A -2 50.391 13.708 33.688 1.00 0.00 O ATOM 0 H GLU A -2 47.329 10.317 30.730 1.00 0.00 H new ATOM 0 HA GLU A -2 48.993 11.919 29.137 1.00 0.00 H new ATOM 0 HB2 GLU A -2 47.909 12.570 31.287 1.00 0.00 H new ATOM 0 HB3 GLU A -2 48.983 11.487 32.151 1.00 0.00 H new ATOM 0 HG2 GLU A -2 50.936 12.823 31.378 1.00 0.00 H new ATOM 0 HG3 GLU A -2 49.851 13.914 30.540 1.00 0.00 H new ATOM 215 N GLY A -1 50.485 9.400 30.595 1.00 0.00 N ATOM 216 CA GLY A -1 51.720 8.660 30.643 1.00 0.00 C ATOM 217 C GLY A -1 51.788 7.573 29.592 1.00 0.00 C ATOM 218 O GLY A -1 52.762 6.831 29.527 1.00 0.00 O ATOM 0 H GLY A -1 49.691 8.938 31.039 1.00 0.00 H new ATOM 0 HA2 GLY A -1 52.556 9.346 30.506 1.00 0.00 H new ATOM 0 HA3 GLY A -1 51.833 8.213 31.631 1.00 0.00 H new ATOM 222 N ARG A 0 50.751 7.468 28.769 1.00 0.00 N ATOM 223 CA ARG A 0 50.714 6.450 27.715 1.00 0.00 C ATOM 224 C ARG A 0 50.944 7.093 26.371 1.00 0.00 C ATOM 225 O ARG A 0 51.806 6.673 25.600 1.00 0.00 O ATOM 226 CB ARG A 0 49.360 5.738 27.673 1.00 0.00 C ATOM 227 CG ARG A 0 48.823 5.318 29.016 1.00 0.00 C ATOM 228 CD ARG A 0 49.751 4.350 29.730 1.00 0.00 C ATOM 229 NE ARG A 0 49.166 3.887 30.985 1.00 0.00 N ATOM 230 CZ ARG A 0 49.672 4.124 32.194 1.00 0.00 C ATOM 231 NH1 ARG A 0 50.823 4.770 32.326 1.00 0.00 N ATOM 232 NH2 ARG A 0 49.030 3.695 33.275 1.00 0.00 N ATOM 0 H ARG A 0 49.928 8.069 28.807 1.00 0.00 H new ATOM 0 HA ARG A 0 51.496 5.724 27.936 1.00 0.00 H new ATOM 0 HB2 ARG A 0 48.634 6.397 27.197 1.00 0.00 H new ATOM 0 HB3 ARG A 0 49.450 4.854 27.041 1.00 0.00 H new ATOM 0 HG2 ARG A 0 48.674 6.201 29.638 1.00 0.00 H new ATOM 0 HG3 ARG A 0 47.846 4.852 28.885 1.00 0.00 H new ATOM 0 HD2 ARG A 0 49.957 3.496 29.085 1.00 0.00 H new ATOM 0 HD3 ARG A 0 50.706 4.837 29.928 1.00 0.00 H new ATOM 0 HE ARG A 0 48.306 3.341 30.932 1.00 0.00 H new ATOM 0 HH11 ARG A 0 51.327 5.089 31.498 1.00 0.00 H new ATOM 0 HH12 ARG A 0 51.204 4.948 33.255 1.00 0.00 H new ATOM 0 HH21 ARG A 0 48.152 3.185 33.178 1.00 0.00 H new ATOM 0 HH22 ARG A 0 49.415 3.875 34.202 1.00 0.00 H new ATOM 246 N MET A 1 50.166 8.118 26.101 1.00 0.00 N ATOM 247 CA MET A 1 50.212 8.796 24.836 1.00 0.00 C ATOM 248 C MET A 1 50.627 10.248 25.018 1.00 0.00 C ATOM 249 O MET A 1 49.996 11.002 25.755 1.00 0.00 O ATOM 250 CB MET A 1 48.850 8.686 24.125 1.00 0.00 C ATOM 251 CG MET A 1 47.664 9.115 24.976 1.00 0.00 C ATOM 252 SD MET A 1 46.076 8.823 24.170 1.00 0.00 S ATOM 253 CE MET A 1 46.103 7.041 23.982 1.00 0.00 C ATOM 0 H MET A 1 49.485 8.501 26.757 1.00 0.00 H new ATOM 0 HA MET A 1 50.962 8.317 24.207 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.874 9.296 23.222 1.00 0.00 H new ATOM 0 HB3 MET A 1 48.701 7.654 23.808 1.00 0.00 H new ATOM 0 HG2 MET A 1 47.689 8.576 25.923 1.00 0.00 H new ATOM 0 HG3 MET A 1 47.757 10.175 25.211 1.00 0.00 H new ATOM 0 HE1 MET A 1 45.122 6.634 24.227 1.00 0.00 H new ATOM 0 HE2 MET A 1 46.354 6.788 22.952 1.00 0.00 H new ATOM 0 HE3 MET A 1 46.850 6.616 24.653 1.00 0.00 H new ATOM 263 N ASP A 2 51.706 10.620 24.364 1.00 0.00 N ATOM 264 CA ASP A 2 52.230 11.973 24.444 1.00 0.00 C ATOM 265 C ASP A 2 52.418 12.543 23.045 1.00 0.00 C ATOM 266 O ASP A 2 52.665 11.794 22.090 1.00 0.00 O ATOM 267 CB ASP A 2 53.563 11.969 25.209 1.00 0.00 C ATOM 268 CG ASP A 2 54.195 13.341 25.338 1.00 0.00 C ATOM 269 OD1 ASP A 2 53.680 14.172 26.118 1.00 0.00 O ATOM 270 OD2 ASP A 2 55.231 13.588 24.680 1.00 0.00 O ATOM 0 H ASP A 2 52.246 9.998 23.763 1.00 0.00 H new ATOM 0 HA ASP A 2 51.520 12.603 24.980 1.00 0.00 H new ATOM 0 HB2 ASP A 2 53.399 11.559 26.206 1.00 0.00 H new ATOM 0 HB3 ASP A 2 54.261 11.303 24.702 1.00 0.00 H new ATOM 275 N VAL A 3 52.281 13.858 22.920 1.00 0.00 N ATOM 276 CA VAL A 3 52.440 14.532 21.637 1.00 0.00 C ATOM 277 C VAL A 3 53.824 14.248 21.058 1.00 0.00 C ATOM 278 O VAL A 3 54.837 14.609 21.648 1.00 0.00 O ATOM 279 CB VAL A 3 52.242 16.063 21.777 1.00 0.00 C ATOM 280 CG1 VAL A 3 52.357 16.751 20.426 1.00 0.00 C ATOM 281 CG2 VAL A 3 50.899 16.373 22.425 1.00 0.00 C ATOM 0 H VAL A 3 52.059 14.481 23.696 1.00 0.00 H new ATOM 0 HA VAL A 3 51.676 14.145 20.963 1.00 0.00 H new ATOM 0 HB VAL A 3 53.032 16.449 22.421 1.00 0.00 H new ATOM 0 HG11 VAL A 3 52.214 17.824 20.551 1.00 0.00 H new ATOM 0 HG12 VAL A 3 53.345 16.563 20.005 1.00 0.00 H new ATOM 0 HG13 VAL A 3 51.595 16.360 19.752 1.00 0.00 H new ATOM 0 HG21 VAL A 3 50.779 17.453 22.515 1.00 0.00 H new ATOM 0 HG22 VAL A 3 50.096 15.968 21.809 1.00 0.00 H new ATOM 0 HG23 VAL A 3 50.860 15.920 23.416 1.00 0.00 H new ATOM 291 N GLY A 4 53.856 13.600 19.907 1.00 0.00 N ATOM 292 CA GLY A 4 55.116 13.238 19.291 1.00 0.00 C ATOM 293 C GLY A 4 55.267 11.738 19.134 1.00 0.00 C ATOM 294 O GLY A 4 56.114 11.269 18.368 1.00 0.00 O ATOM 0 H GLY A 4 53.028 13.316 19.384 1.00 0.00 H new ATOM 0 HA2 GLY A 4 55.190 13.713 18.313 1.00 0.00 H new ATOM 0 HA3 GLY A 4 55.938 13.623 19.895 1.00 0.00 H new ATOM 298 N GLN A 5 54.459 10.982 19.862 1.00 0.00 N ATOM 299 CA GLN A 5 54.487 9.531 19.758 1.00 0.00 C ATOM 300 C GLN A 5 53.586 9.053 18.636 1.00 0.00 C ATOM 301 O GLN A 5 52.717 9.793 18.161 1.00 0.00 O ATOM 302 CB GLN A 5 54.075 8.868 21.073 1.00 0.00 C ATOM 303 CG GLN A 5 55.113 8.980 22.173 1.00 0.00 C ATOM 304 CD GLN A 5 54.713 8.223 23.419 1.00 0.00 C ATOM 305 OE1 GLN A 5 54.069 8.770 24.311 1.00 0.00 O ATOM 306 NE2 GLN A 5 55.086 6.959 23.488 1.00 0.00 N ATOM 0 H GLN A 5 53.779 11.347 20.528 1.00 0.00 H new ATOM 0 HA GLN A 5 55.514 9.242 19.535 1.00 0.00 H new ATOM 0 HB2 GLN A 5 53.144 9.318 21.419 1.00 0.00 H new ATOM 0 HB3 GLN A 5 53.870 7.814 20.888 1.00 0.00 H new ATOM 0 HG2 GLN A 5 56.067 8.598 21.809 1.00 0.00 H new ATOM 0 HG3 GLN A 5 55.264 10.031 22.422 1.00 0.00 H new ATOM 0 HE21 GLN A 5 55.620 6.542 22.725 1.00 0.00 H new ATOM 0 HE22 GLN A 5 54.840 6.399 24.304 1.00 0.00 H new ATOM 315 N LYS A 6 53.795 7.825 18.212 1.00 0.00 N ATOM 316 CA LYS A 6 53.014 7.240 17.147 1.00 0.00 C ATOM 317 C LYS A 6 51.918 6.349 17.720 1.00 0.00 C ATOM 318 O LYS A 6 52.125 5.658 18.716 1.00 0.00 O ATOM 319 CB LYS A 6 53.921 6.445 16.204 1.00 0.00 C ATOM 320 CG LYS A 6 54.939 7.304 15.460 1.00 0.00 C ATOM 321 CD LYS A 6 55.902 6.452 14.640 1.00 0.00 C ATOM 322 CE LYS A 6 55.224 5.817 13.428 1.00 0.00 C ATOM 323 NZ LYS A 6 54.918 6.812 12.365 1.00 0.00 N ATOM 0 H LYS A 6 54.510 7.207 18.596 1.00 0.00 H new ATOM 0 HA LYS A 6 52.540 8.040 16.578 1.00 0.00 H new ATOM 0 HB2 LYS A 6 54.451 5.686 16.779 1.00 0.00 H new ATOM 0 HB3 LYS A 6 53.302 5.920 15.477 1.00 0.00 H new ATOM 0 HG2 LYS A 6 54.417 7.999 14.802 1.00 0.00 H new ATOM 0 HG3 LYS A 6 55.502 7.903 16.175 1.00 0.00 H new ATOM 0 HD2 LYS A 6 56.736 7.069 14.305 1.00 0.00 H new ATOM 0 HD3 LYS A 6 56.319 5.668 15.272 1.00 0.00 H new ATOM 0 HE2 LYS A 6 55.870 5.040 13.020 1.00 0.00 H new ATOM 0 HE3 LYS A 6 54.301 5.331 13.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 54.569 6.319 11.518 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 54.190 7.472 12.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 55.781 7.341 12.126 1.00 0.00 H new ATOM 337 N VAL A 7 50.757 6.385 17.102 1.00 0.00 N ATOM 338 CA VAL A 7 49.620 5.593 17.546 1.00 0.00 C ATOM 339 C VAL A 7 48.949 4.903 16.372 1.00 0.00 C ATOM 340 O VAL A 7 49.032 5.368 15.240 1.00 0.00 O ATOM 341 CB VAL A 7 48.566 6.448 18.295 1.00 0.00 C ATOM 342 CG1 VAL A 7 49.077 6.874 19.659 1.00 0.00 C ATOM 343 CG2 VAL A 7 48.177 7.662 17.472 1.00 0.00 C ATOM 0 H VAL A 7 50.571 6.960 16.281 1.00 0.00 H new ATOM 0 HA VAL A 7 50.015 4.848 18.237 1.00 0.00 H new ATOM 0 HB VAL A 7 47.680 5.831 18.443 1.00 0.00 H new ATOM 0 HG11 VAL A 7 48.317 7.472 20.162 1.00 0.00 H new ATOM 0 HG12 VAL A 7 49.297 5.990 20.257 1.00 0.00 H new ATOM 0 HG13 VAL A 7 49.984 7.466 19.539 1.00 0.00 H new ATOM 0 HG21 VAL A 7 47.436 8.248 18.016 1.00 0.00 H new ATOM 0 HG22 VAL A 7 49.060 8.274 17.287 1.00 0.00 H new ATOM 0 HG23 VAL A 7 47.755 7.337 16.521 1.00 0.00 H new ATOM 353 N ARG A 8 48.293 3.802 16.646 1.00 0.00 N ATOM 354 CA ARG A 8 47.603 3.042 15.619 1.00 0.00 C ATOM 355 C ARG A 8 46.142 2.844 15.992 1.00 0.00 C ATOM 356 O ARG A 8 45.830 2.460 17.120 1.00 0.00 O ATOM 357 CB ARG A 8 48.287 1.680 15.420 1.00 0.00 C ATOM 358 CG ARG A 8 47.484 0.698 14.576 1.00 0.00 C ATOM 359 CD ARG A 8 48.206 -0.630 14.428 1.00 0.00 C ATOM 360 NE ARG A 8 47.311 -1.685 13.941 1.00 0.00 N ATOM 361 CZ ARG A 8 47.672 -2.665 13.101 1.00 0.00 C ATOM 362 NH1 ARG A 8 48.908 -2.721 12.625 1.00 0.00 N ATOM 363 NH2 ARG A 8 46.787 -3.586 12.742 1.00 0.00 N ATOM 0 H ARG A 8 48.219 3.404 17.582 1.00 0.00 H new ATOM 0 HA ARG A 8 47.649 3.602 14.685 1.00 0.00 H new ATOM 0 HB2 ARG A 8 49.257 1.838 14.949 1.00 0.00 H new ATOM 0 HB3 ARG A 8 48.475 1.234 16.397 1.00 0.00 H new ATOM 0 HG2 ARG A 8 46.509 0.534 15.036 1.00 0.00 H new ATOM 0 HG3 ARG A 8 47.303 1.127 13.590 1.00 0.00 H new ATOM 0 HD2 ARG A 8 49.041 -0.515 13.737 1.00 0.00 H new ATOM 0 HD3 ARG A 8 48.626 -0.925 15.390 1.00 0.00 H new ATOM 0 HE ARG A 8 46.344 -1.672 14.265 1.00 0.00 H new ATOM 0 HH11 ARG A 8 49.592 -2.015 12.898 1.00 0.00 H new ATOM 0 HH12 ARG A 8 49.175 -3.470 11.986 1.00 0.00 H new ATOM 0 HH21 ARG A 8 45.835 -3.547 13.105 1.00 0.00 H new ATOM 0 HH22 ARG A 8 47.059 -4.333 12.103 1.00 0.00 H new ATOM 377 N VAL A 9 45.249 3.121 15.051 1.00 0.00 N ATOM 378 CA VAL A 9 43.825 2.920 15.280 1.00 0.00 C ATOM 379 C VAL A 9 43.503 1.450 15.083 1.00 0.00 C ATOM 380 O VAL A 9 43.786 0.886 14.022 1.00 0.00 O ATOM 381 CB VAL A 9 42.957 3.753 14.308 1.00 0.00 C ATOM 382 CG1 VAL A 9 41.517 3.809 14.792 1.00 0.00 C ATOM 383 CG2 VAL A 9 43.518 5.152 14.137 1.00 0.00 C ATOM 0 H VAL A 9 45.484 3.483 14.127 1.00 0.00 H new ATOM 0 HA VAL A 9 43.598 3.244 16.296 1.00 0.00 H new ATOM 0 HB VAL A 9 42.976 3.262 13.335 1.00 0.00 H new ATOM 0 HG11 VAL A 9 40.922 4.399 14.095 1.00 0.00 H new ATOM 0 HG12 VAL A 9 41.113 2.798 14.849 1.00 0.00 H new ATOM 0 HG13 VAL A 9 41.483 4.270 15.779 1.00 0.00 H new ATOM 0 HG21 VAL A 9 42.888 5.715 13.449 1.00 0.00 H new ATOM 0 HG22 VAL A 9 43.540 5.656 15.103 1.00 0.00 H new ATOM 0 HG23 VAL A 9 44.530 5.092 13.736 1.00 0.00 H new ATOM 393 N CYS A 10 42.931 0.824 16.090 1.00 0.00 N ATOM 394 CA CYS A 10 42.653 -0.599 16.009 1.00 0.00 C ATOM 395 C CYS A 10 41.167 -0.906 16.140 1.00 0.00 C ATOM 396 O CYS A 10 40.647 -1.777 15.441 1.00 0.00 O ATOM 397 CB CYS A 10 43.466 -1.354 17.052 1.00 0.00 C ATOM 398 SG CYS A 10 45.251 -1.117 16.876 1.00 0.00 S ATOM 0 H CYS A 10 42.652 1.269 16.964 1.00 0.00 H new ATOM 0 HA CYS A 10 42.953 -0.938 15.017 1.00 0.00 H new ATOM 0 HB2 CYS A 10 43.160 -1.029 18.046 1.00 0.00 H new ATOM 0 HB3 CYS A 10 43.239 -2.418 16.980 1.00 0.00 H new ATOM 0 HG CYS A 10 45.846 -1.468 17.977 1.00 0.00 H new ATOM 404 N ARG A 11 40.481 -0.189 17.007 1.00 0.00 N ATOM 405 CA ARG A 11 39.060 -0.411 17.200 1.00 0.00 C ATOM 406 C ARG A 11 38.325 0.902 17.272 1.00 0.00 C ATOM 407 O ARG A 11 38.765 1.825 17.940 1.00 0.00 O ATOM 408 CB ARG A 11 38.791 -1.235 18.466 1.00 0.00 C ATOM 409 CG ARG A 11 39.313 -0.609 19.755 1.00 0.00 C ATOM 410 CD ARG A 11 38.917 -1.441 20.958 1.00 0.00 C ATOM 411 NE ARG A 11 39.503 -0.945 22.203 1.00 0.00 N ATOM 412 CZ ARG A 11 40.335 -1.652 22.971 1.00 0.00 C ATOM 413 NH1 ARG A 11 40.708 -2.877 22.607 1.00 0.00 N ATOM 414 NH2 ARG A 11 40.787 -1.141 24.102 1.00 0.00 N ATOM 0 H ARG A 11 40.881 0.549 17.587 1.00 0.00 H new ATOM 0 HA ARG A 11 38.694 -0.976 16.343 1.00 0.00 H new ATOM 0 HB2 ARG A 11 37.716 -1.389 18.562 1.00 0.00 H new ATOM 0 HB3 ARG A 11 39.244 -2.219 18.346 1.00 0.00 H new ATOM 0 HG2 ARG A 11 40.399 -0.523 19.709 1.00 0.00 H new ATOM 0 HG3 ARG A 11 38.917 0.401 19.860 1.00 0.00 H new ATOM 0 HD2 ARG A 11 37.831 -1.447 21.049 1.00 0.00 H new ATOM 0 HD3 ARG A 11 39.229 -2.473 20.800 1.00 0.00 H new ATOM 0 HE ARG A 11 39.261 -0.001 22.503 1.00 0.00 H new ATOM 0 HH11 ARG A 11 40.358 -3.280 21.738 1.00 0.00 H new ATOM 0 HH12 ARG A 11 41.344 -3.413 23.197 1.00 0.00 H new ATOM 0 HH21 ARG A 11 40.500 -0.205 24.389 1.00 0.00 H new ATOM 0 HH22 ARG A 11 41.423 -1.682 24.688 1.00 0.00 H new ATOM 428 N ILE A 12 37.214 0.981 16.578 1.00 0.00 N ATOM 429 CA ILE A 12 36.414 2.182 16.574 1.00 0.00 C ATOM 430 C ILE A 12 35.427 2.144 17.729 1.00 0.00 C ATOM 431 O ILE A 12 34.797 1.111 17.992 1.00 0.00 O ATOM 432 CB ILE A 12 35.663 2.355 15.234 1.00 0.00 C ATOM 433 CG1 ILE A 12 36.668 2.361 14.078 1.00 0.00 C ATOM 434 CG2 ILE A 12 34.847 3.643 15.242 1.00 0.00 C ATOM 435 CD1 ILE A 12 36.038 2.502 12.712 1.00 0.00 C ATOM 0 H ILE A 12 36.842 0.223 16.006 1.00 0.00 H new ATOM 0 HA ILE A 12 37.080 3.037 16.693 1.00 0.00 H new ATOM 0 HB ILE A 12 34.975 1.520 15.101 1.00 0.00 H new ATOM 0 HG12 ILE A 12 37.372 3.179 14.227 1.00 0.00 H new ATOM 0 HG13 ILE A 12 37.244 1.436 14.107 1.00 0.00 H new ATOM 0 HG21 ILE A 12 34.325 3.749 14.291 1.00 0.00 H new ATOM 0 HG22 ILE A 12 34.120 3.608 16.053 1.00 0.00 H new ATOM 0 HG23 ILE A 12 35.512 4.494 15.387 1.00 0.00 H new ATOM 0 HD11 ILE A 12 36.817 2.497 11.950 1.00 0.00 H new ATOM 0 HD12 ILE A 12 35.356 1.670 12.538 1.00 0.00 H new ATOM 0 HD13 ILE A 12 35.486 3.441 12.661 1.00 0.00 H new ATOM 447 N ARG A 13 35.311 3.256 18.417 1.00 0.00 N ATOM 448 CA ARG A 13 34.459 3.359 19.581 1.00 0.00 C ATOM 449 C ARG A 13 32.979 3.385 19.214 1.00 0.00 C ATOM 450 O ARG A 13 32.193 2.596 19.739 1.00 0.00 O ATOM 451 CB ARG A 13 34.817 4.608 20.387 1.00 0.00 C ATOM 452 CG ARG A 13 36.208 4.568 21.011 1.00 0.00 C ATOM 453 CD ARG A 13 36.300 3.507 22.095 1.00 0.00 C ATOM 454 NE ARG A 13 35.284 3.705 23.128 1.00 0.00 N ATOM 455 CZ ARG A 13 35.102 2.906 24.178 1.00 0.00 C ATOM 456 NH1 ARG A 13 35.927 1.886 24.406 1.00 0.00 N ATOM 457 NH2 ARG A 13 34.108 3.150 25.020 1.00 0.00 N ATOM 0 H ARG A 13 35.806 4.117 18.185 1.00 0.00 H new ATOM 0 HA ARG A 13 34.631 2.469 20.186 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.747 5.480 19.736 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.079 4.741 21.178 1.00 0.00 H new ATOM 0 HG2 ARG A 13 36.949 4.366 20.238 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.447 5.544 21.434 1.00 0.00 H new ATOM 0 HD2 ARG A 13 36.180 2.519 21.650 1.00 0.00 H new ATOM 0 HD3 ARG A 13 37.291 3.534 22.548 1.00 0.00 H new ATOM 0 HE ARG A 13 34.670 4.514 23.038 1.00 0.00 H new ATOM 0 HH11 ARG A 13 36.708 1.710 23.773 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.778 1.280 25.213 1.00 0.00 H new ATOM 0 HH21 ARG A 13 33.489 3.945 24.862 1.00 0.00 H new ATOM 0 HH22 ARG A 13 33.962 2.543 25.826 1.00 0.00 H new ATOM 471 N ASP A 14 32.601 4.272 18.308 1.00 0.00 N ATOM 472 CA ASP A 14 31.187 4.436 17.972 1.00 0.00 C ATOM 473 C ASP A 14 30.754 3.604 16.763 1.00 0.00 C ATOM 474 O ASP A 14 30.272 2.481 16.914 1.00 0.00 O ATOM 475 CB ASP A 14 30.838 5.914 17.757 1.00 0.00 C ATOM 476 CG ASP A 14 29.354 6.124 17.515 1.00 0.00 C ATOM 477 OD1 ASP A 14 28.553 5.807 18.414 1.00 0.00 O ATOM 478 OD2 ASP A 14 28.983 6.600 16.425 1.00 0.00 O ATOM 0 H ASP A 14 33.238 4.883 17.797 1.00 0.00 H new ATOM 0 HA ASP A 14 30.629 4.059 18.829 1.00 0.00 H new ATOM 0 HB2 ASP A 14 31.147 6.489 18.630 1.00 0.00 H new ATOM 0 HB3 ASP A 14 31.401 6.298 16.906 1.00 0.00 H new ATOM 483 N ARG A 15 30.939 4.148 15.571 1.00 0.00 N ATOM 484 CA ARG A 15 30.480 3.487 14.356 1.00 0.00 C ATOM 485 C ARG A 15 31.599 3.381 13.339 1.00 0.00 C ATOM 486 O ARG A 15 32.452 4.265 13.246 1.00 0.00 O ATOM 487 CB ARG A 15 29.300 4.258 13.761 1.00 0.00 C ATOM 488 CG ARG A 15 29.641 5.687 13.360 1.00 0.00 C ATOM 489 CD ARG A 15 28.401 6.480 12.996 1.00 0.00 C ATOM 490 NE ARG A 15 27.499 6.643 14.143 1.00 0.00 N ATOM 491 CZ ARG A 15 26.212 6.997 14.049 1.00 0.00 C ATOM 492 NH1 ARG A 15 25.667 7.245 12.862 1.00 0.00 N ATOM 493 NH2 ARG A 15 25.471 7.108 15.145 1.00 0.00 N ATOM 0 H ARG A 15 31.403 5.043 15.417 1.00 0.00 H new ATOM 0 HA ARG A 15 30.159 2.477 14.613 1.00 0.00 H new ATOM 0 HB2 ARG A 15 28.932 3.723 12.886 1.00 0.00 H new ATOM 0 HB3 ARG A 15 28.487 4.278 14.487 1.00 0.00 H new ATOM 0 HG2 ARG A 15 30.160 6.181 14.181 1.00 0.00 H new ATOM 0 HG3 ARG A 15 30.326 5.673 12.512 1.00 0.00 H new ATOM 0 HD2 ARG A 15 28.694 7.461 12.622 1.00 0.00 H new ATOM 0 HD3 ARG A 15 27.872 5.976 12.187 1.00 0.00 H new ATOM 0 HE ARG A 15 27.879 6.475 15.074 1.00 0.00 H new ATOM 0 HH11 ARG A 15 26.231 7.166 12.016 1.00 0.00 H new ATOM 0 HH12 ARG A 15 24.685 7.514 12.798 1.00 0.00 H new ATOM 0 HH21 ARG A 15 25.883 6.923 16.060 1.00 0.00 H new ATOM 0 HH22 ARG A 15 24.490 7.378 15.072 1.00 0.00 H new ATOM 507 N VAL A 16 31.596 2.309 12.571 1.00 0.00 N ATOM 508 CA VAL A 16 32.624 2.103 11.577 1.00 0.00 C ATOM 509 C VAL A 16 32.204 2.702 10.242 1.00 0.00 C ATOM 510 O VAL A 16 31.256 2.232 9.607 1.00 0.00 O ATOM 511 CB VAL A 16 32.909 0.592 11.375 1.00 0.00 C ATOM 512 CG1 VAL A 16 34.051 0.375 10.388 1.00 0.00 C ATOM 513 CG2 VAL A 16 33.202 -0.089 12.706 1.00 0.00 C ATOM 0 H VAL A 16 30.894 1.571 12.618 1.00 0.00 H new ATOM 0 HA VAL A 16 33.528 2.596 11.936 1.00 0.00 H new ATOM 0 HB VAL A 16 32.013 0.137 10.953 1.00 0.00 H new ATOM 0 HG11 VAL A 16 34.228 -0.694 10.266 1.00 0.00 H new ATOM 0 HG12 VAL A 16 33.787 0.811 9.425 1.00 0.00 H new ATOM 0 HG13 VAL A 16 34.955 0.852 10.767 1.00 0.00 H new ATOM 0 HG21 VAL A 16 33.399 -1.148 12.537 1.00 0.00 H new ATOM 0 HG22 VAL A 16 34.075 0.373 13.167 1.00 0.00 H new ATOM 0 HG23 VAL A 16 32.342 0.020 13.367 1.00 0.00 H new ATOM 523 N ALA A 17 32.889 3.750 9.835 1.00 0.00 N ATOM 524 CA ALA A 17 32.655 4.344 8.537 1.00 0.00 C ATOM 525 C ALA A 17 33.527 3.678 7.491 1.00 0.00 C ATOM 526 O ALA A 17 34.574 3.120 7.823 1.00 0.00 O ATOM 527 CB ALA A 17 32.901 5.829 8.568 1.00 0.00 C ATOM 0 H ALA A 17 33.614 4.209 10.387 1.00 0.00 H new ATOM 0 HA ALA A 17 31.610 4.186 8.272 1.00 0.00 H new ATOM 0 HB1 ALA A 17 32.717 6.249 7.579 1.00 0.00 H new ATOM 0 HB2 ALA A 17 32.230 6.294 9.290 1.00 0.00 H new ATOM 0 HB3 ALA A 17 33.934 6.021 8.858 1.00 0.00 H new ATOM 533 N GLN A 18 33.125 3.752 6.235 1.00 0.00 N ATOM 534 CA GLN A 18 33.912 3.168 5.157 1.00 0.00 C ATOM 535 C GLN A 18 35.183 3.980 4.919 1.00 0.00 C ATOM 536 O GLN A 18 36.147 3.492 4.333 1.00 0.00 O ATOM 537 CB GLN A 18 33.082 3.049 3.878 1.00 0.00 C ATOM 538 CG GLN A 18 31.938 2.049 4.000 1.00 0.00 C ATOM 539 CD GLN A 18 31.110 1.935 2.736 1.00 0.00 C ATOM 540 OE1 GLN A 18 31.609 2.139 1.630 1.00 0.00 O ATOM 541 NE2 GLN A 18 29.848 1.596 2.890 1.00 0.00 N ATOM 0 H GLN A 18 32.263 4.208 5.934 1.00 0.00 H new ATOM 0 HA GLN A 18 34.207 2.162 5.454 1.00 0.00 H new ATOM 0 HB2 GLN A 18 32.676 4.028 3.623 1.00 0.00 H new ATOM 0 HB3 GLN A 18 33.732 2.750 3.056 1.00 0.00 H new ATOM 0 HG2 GLN A 18 32.345 1.069 4.250 1.00 0.00 H new ATOM 0 HG3 GLN A 18 31.291 2.345 4.826 1.00 0.00 H new ATOM 0 HE21 GLN A 18 29.473 1.436 3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 18 29.244 1.493 2.074 1.00 0.00 H new ATOM 550 N ASP A 19 35.174 5.222 5.384 1.00 0.00 N ATOM 551 CA ASP A 19 36.350 6.081 5.310 1.00 0.00 C ATOM 552 C ASP A 19 37.238 5.852 6.516 1.00 0.00 C ATOM 553 O ASP A 19 38.447 5.686 6.390 1.00 0.00 O ATOM 554 CB ASP A 19 35.952 7.555 5.248 1.00 0.00 C ATOM 555 CG ASP A 19 35.502 7.991 3.875 1.00 0.00 C ATOM 556 OD1 ASP A 19 36.364 8.396 3.071 1.00 0.00 O ATOM 557 OD2 ASP A 19 34.283 7.959 3.603 1.00 0.00 O ATOM 0 H ASP A 19 34.362 5.660 5.819 1.00 0.00 H new ATOM 0 HA ASP A 19 36.893 5.828 4.400 1.00 0.00 H new ATOM 0 HB2 ASP A 19 35.149 7.738 5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 19 36.799 8.167 5.557 1.00 0.00 H new ATOM 562 N ILE A 20 36.618 5.824 7.693 1.00 0.00 N ATOM 563 CA ILE A 20 37.333 5.624 8.955 1.00 0.00 C ATOM 564 C ILE A 20 38.012 4.261 8.983 1.00 0.00 C ATOM 565 O ILE A 20 39.059 4.090 9.608 1.00 0.00 O ATOM 566 CB ILE A 20 36.373 5.750 10.169 1.00 0.00 C ATOM 567 CG1 ILE A 20 35.649 7.087 10.121 1.00 0.00 C ATOM 568 CG2 ILE A 20 37.130 5.611 11.481 1.00 0.00 C ATOM 569 CD1 ILE A 20 34.652 7.297 11.247 1.00 0.00 C ATOM 0 H ILE A 20 35.610 5.939 7.801 1.00 0.00 H new ATOM 0 HA ILE A 20 38.093 6.403 9.026 1.00 0.00 H new ATOM 0 HB ILE A 20 35.642 4.943 10.113 1.00 0.00 H new ATOM 0 HG12 ILE A 20 36.387 7.888 10.151 1.00 0.00 H new ATOM 0 HG13 ILE A 20 35.126 7.170 9.168 1.00 0.00 H new ATOM 0 HG21 ILE A 20 36.434 5.703 12.314 1.00 0.00 H new ATOM 0 HG22 ILE A 20 37.615 4.636 11.520 1.00 0.00 H new ATOM 0 HG23 ILE A 20 37.885 6.394 11.550 1.00 0.00 H new ATOM 0 HD11 ILE A 20 34.181 8.274 11.138 1.00 0.00 H new ATOM 0 HD12 ILE A 20 33.889 6.519 11.207 1.00 0.00 H new ATOM 0 HD13 ILE A 20 35.170 7.249 12.205 1.00 0.00 H new ATOM 581 N ILE A 21 37.429 3.297 8.284 1.00 0.00 N ATOM 582 CA ILE A 21 37.990 1.962 8.234 1.00 0.00 C ATOM 583 C ILE A 21 39.383 2.006 7.570 1.00 0.00 C ATOM 584 O ILE A 21 40.269 1.217 7.896 1.00 0.00 O ATOM 585 CB ILE A 21 37.034 0.963 7.486 1.00 0.00 C ATOM 586 CG1 ILE A 21 37.183 -0.484 8.019 1.00 0.00 C ATOM 587 CG2 ILE A 21 37.246 1.000 5.977 1.00 0.00 C ATOM 588 CD1 ILE A 21 38.503 -1.160 7.705 1.00 0.00 C ATOM 0 H ILE A 21 36.570 3.418 7.747 1.00 0.00 H new ATOM 0 HA ILE A 21 38.099 1.594 9.254 1.00 0.00 H new ATOM 0 HB ILE A 21 36.016 1.294 7.691 1.00 0.00 H new ATOM 0 HG12 ILE A 21 37.050 -0.470 9.101 1.00 0.00 H new ATOM 0 HG13 ILE A 21 36.377 -1.090 7.606 1.00 0.00 H new ATOM 0 HG21 ILE A 21 36.567 0.296 5.497 1.00 0.00 H new ATOM 0 HG22 ILE A 21 37.048 2.006 5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 21 38.275 0.725 5.747 1.00 0.00 H new ATOM 0 HD11 ILE A 21 38.504 -2.167 8.122 1.00 0.00 H new ATOM 0 HD12 ILE A 21 38.636 -1.215 6.625 1.00 0.00 H new ATOM 0 HD13 ILE A 21 39.319 -0.585 8.142 1.00 0.00 H new ATOM 600 N GLN A 22 39.584 2.986 6.686 1.00 0.00 N ATOM 601 CA GLN A 22 40.855 3.151 5.992 1.00 0.00 C ATOM 602 C GLN A 22 41.918 3.723 6.928 1.00 0.00 C ATOM 603 O GLN A 22 43.058 3.948 6.529 1.00 0.00 O ATOM 604 CB GLN A 22 40.689 4.063 4.777 1.00 0.00 C ATOM 605 CG GLN A 22 39.831 3.476 3.671 1.00 0.00 C ATOM 606 CD GLN A 22 39.683 4.411 2.482 1.00 0.00 C ATOM 607 OE1 GLN A 22 39.664 5.706 2.739 1.00 0.00 O flip ATOM 608 NE2 GLN A 22 39.574 3.968 1.340 1.00 0.00 N flip ATOM 0 H GLN A 22 38.877 3.678 6.436 1.00 0.00 H new ATOM 0 HA GLN A 22 41.182 2.167 5.655 1.00 0.00 H new ATOM 0 HB2 GLN A 22 40.248 5.006 5.102 1.00 0.00 H new ATOM 0 HB3 GLN A 22 41.675 4.294 4.373 1.00 0.00 H new ATOM 0 HG2 GLN A 22 40.271 2.536 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 22 38.843 3.242 4.069 1.00 0.00 H new ATOM 0 HE21 GLN A 22 39.593 2.961 1.180 1.00 0.00 H new ATOM 0 HE22 GLN A 22 39.465 4.608 0.553 1.00 0.00 H new ATOM 617 N LYS A 23 41.530 3.993 8.159 1.00 0.00 N ATOM 618 CA LYS A 23 42.453 4.488 9.157 1.00 0.00 C ATOM 619 C LYS A 23 42.801 3.378 10.138 1.00 0.00 C ATOM 620 O LYS A 23 43.741 3.494 10.921 1.00 0.00 O ATOM 621 CB LYS A 23 41.844 5.681 9.891 1.00 0.00 C ATOM 622 CG LYS A 23 41.405 6.814 8.969 1.00 0.00 C ATOM 623 CD LYS A 23 42.485 7.879 8.796 1.00 0.00 C ATOM 624 CE LYS A 23 43.724 7.359 8.067 1.00 0.00 C ATOM 625 NZ LYS A 23 43.439 6.956 6.666 1.00 0.00 N ATOM 0 H LYS A 23 40.573 3.876 8.492 1.00 0.00 H new ATOM 0 HA LYS A 23 43.368 4.817 8.664 1.00 0.00 H new ATOM 0 HB2 LYS A 23 40.984 5.340 10.467 1.00 0.00 H new ATOM 0 HB3 LYS A 23 42.572 6.067 10.604 1.00 0.00 H new ATOM 0 HG2 LYS A 23 41.144 6.404 7.993 1.00 0.00 H new ATOM 0 HG3 LYS A 23 40.504 7.277 9.371 1.00 0.00 H new ATOM 0 HD2 LYS A 23 42.071 8.722 8.242 1.00 0.00 H new ATOM 0 HD3 LYS A 23 42.778 8.255 9.776 1.00 0.00 H new ATOM 0 HE2 LYS A 23 44.493 8.132 8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 23 44.129 6.506 8.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 44.172 7.343 6.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 43.436 5.918 6.597 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 42.509 7.325 6.381 1.00 0.00 H new ATOM 639 N LEU A 24 42.037 2.293 10.075 1.00 0.00 N ATOM 640 CA LEU A 24 42.264 1.150 10.940 1.00 0.00 C ATOM 641 C LEU A 24 43.498 0.394 10.494 1.00 0.00 C ATOM 642 O LEU A 24 43.653 0.075 9.311 1.00 0.00 O ATOM 643 CB LEU A 24 41.044 0.215 10.952 1.00 0.00 C ATOM 644 CG LEU A 24 39.779 0.771 11.611 1.00 0.00 C ATOM 645 CD1 LEU A 24 38.657 -0.250 11.549 1.00 0.00 C ATOM 646 CD2 LEU A 24 40.056 1.163 13.052 1.00 0.00 C ATOM 0 H LEU A 24 41.254 2.185 9.431 1.00 0.00 H new ATOM 0 HA LEU A 24 42.419 1.518 11.954 1.00 0.00 H new ATOM 0 HB2 LEU A 24 40.806 -0.052 9.922 1.00 0.00 H new ATOM 0 HB3 LEU A 24 41.322 -0.706 11.464 1.00 0.00 H new ATOM 0 HG LEU A 24 39.470 1.662 11.064 1.00 0.00 H new ATOM 0 HD11 LEU A 24 37.765 0.161 12.022 1.00 0.00 H new ATOM 0 HD12 LEU A 24 38.439 -0.488 10.508 1.00 0.00 H new ATOM 0 HD13 LEU A 24 38.961 -1.156 12.073 1.00 0.00 H new ATOM 0 HD21 LEU A 24 39.145 1.556 13.504 1.00 0.00 H new ATOM 0 HD22 LEU A 24 40.389 0.288 13.610 1.00 0.00 H new ATOM 0 HD23 LEU A 24 40.833 1.927 13.078 1.00 0.00 H new ATOM 658 N GLY A 25 44.386 0.136 11.430 1.00 0.00 N ATOM 659 CA GLY A 25 45.595 -0.581 11.120 1.00 0.00 C ATOM 660 C GLY A 25 46.723 0.340 10.714 1.00 0.00 C ATOM 661 O GLY A 25 47.878 -0.078 10.651 1.00 0.00 O ATOM 0 H GLY A 25 44.290 0.413 12.407 1.00 0.00 H new ATOM 0 HA2 GLY A 25 45.901 -1.165 11.988 1.00 0.00 H new ATOM 0 HA3 GLY A 25 45.399 -1.288 10.314 1.00 0.00 H new ATOM 665 N GLN A 26 46.397 1.595 10.446 1.00 0.00 N ATOM 666 CA GLN A 26 47.399 2.553 10.028 1.00 0.00 C ATOM 667 C GLN A 26 48.007 3.228 11.245 1.00 0.00 C ATOM 668 O GLN A 26 47.327 3.442 12.256 1.00 0.00 O ATOM 669 CB GLN A 26 46.797 3.608 9.094 1.00 0.00 C ATOM 670 CG GLN A 26 47.824 4.251 8.170 1.00 0.00 C ATOM 671 CD GLN A 26 47.314 5.495 7.479 1.00 0.00 C ATOM 672 OE1 GLN A 26 47.502 6.605 7.967 1.00 0.00 O ATOM 673 NE2 GLN A 26 46.652 5.324 6.356 1.00 0.00 N ATOM 0 H GLN A 26 45.450 1.969 10.511 1.00 0.00 H new ATOM 0 HA GLN A 26 48.176 2.018 9.482 1.00 0.00 H new ATOM 0 HB2 GLN A 26 46.015 3.146 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 26 46.321 4.384 9.693 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.713 4.504 8.747 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.129 3.525 7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.516 4.385 5.982 1.00 0.00 H new ATOM 0 HE22 GLN A 26 46.274 6.131 5.859 1.00 0.00 H new ATOM 682 N VAL A 27 49.282 3.549 11.155 1.00 0.00 N ATOM 683 CA VAL A 27 49.975 4.197 12.246 1.00 0.00 C ATOM 684 C VAL A 27 50.135 5.687 11.966 1.00 0.00 C ATOM 685 O VAL A 27 50.610 6.083 10.902 1.00 0.00 O ATOM 686 CB VAL A 27 51.370 3.573 12.487 1.00 0.00 C ATOM 687 CG1 VAL A 27 52.011 4.149 13.740 1.00 0.00 C ATOM 688 CG2 VAL A 27 51.273 2.058 12.588 1.00 0.00 C ATOM 0 H VAL A 27 49.860 3.370 10.334 1.00 0.00 H new ATOM 0 HA VAL A 27 49.371 4.053 13.142 1.00 0.00 H new ATOM 0 HB VAL A 27 52.002 3.821 11.634 1.00 0.00 H new ATOM 0 HG11 VAL A 27 52.991 3.695 13.889 1.00 0.00 H new ATOM 0 HG12 VAL A 27 52.124 5.227 13.628 1.00 0.00 H new ATOM 0 HG13 VAL A 27 51.379 3.938 14.602 1.00 0.00 H new ATOM 0 HG21 VAL A 27 52.265 1.640 12.757 1.00 0.00 H new ATOM 0 HG22 VAL A 27 50.620 1.790 13.418 1.00 0.00 H new ATOM 0 HG23 VAL A 27 50.864 1.657 11.661 1.00 0.00 H new ATOM 698 N GLY A 28 49.728 6.499 12.914 1.00 0.00 N ATOM 699 CA GLY A 28 49.854 7.927 12.782 1.00 0.00 C ATOM 700 C GLY A 28 50.664 8.506 13.916 1.00 0.00 C ATOM 701 O GLY A 28 51.208 7.763 14.731 1.00 0.00 O ATOM 0 H GLY A 28 49.305 6.190 13.789 1.00 0.00 H new ATOM 0 HA2 GLY A 28 50.330 8.167 11.831 1.00 0.00 H new ATOM 0 HA3 GLY A 28 48.864 8.383 12.768 1.00 0.00 H new ATOM 705 N GLN A 29 50.748 9.814 13.982 1.00 0.00 N ATOM 706 CA GLN A 29 51.509 10.471 15.028 1.00 0.00 C ATOM 707 C GLN A 29 50.655 11.497 15.760 1.00 0.00 C ATOM 708 O GLN A 29 49.879 12.228 15.146 1.00 0.00 O ATOM 709 CB GLN A 29 52.759 11.120 14.433 1.00 0.00 C ATOM 710 CG GLN A 29 53.639 11.836 15.442 1.00 0.00 C ATOM 711 CD GLN A 29 54.969 12.250 14.850 1.00 0.00 C ATOM 712 OE1 GLN A 29 55.514 11.573 13.972 1.00 0.00 O ATOM 713 NE2 GLN A 29 55.494 13.366 15.308 1.00 0.00 N ATOM 0 H GLN A 29 50.298 10.449 13.323 1.00 0.00 H new ATOM 0 HA GLN A 29 51.820 9.723 15.757 1.00 0.00 H new ATOM 0 HB2 GLN A 29 53.350 10.351 13.936 1.00 0.00 H new ATOM 0 HB3 GLN A 29 52.453 11.832 13.667 1.00 0.00 H new ATOM 0 HG2 GLN A 29 53.118 12.719 15.814 1.00 0.00 H new ATOM 0 HG3 GLN A 29 53.812 11.184 16.298 1.00 0.00 H new ATOM 0 HE21 GLN A 29 55.012 13.896 16.034 1.00 0.00 H new ATOM 0 HE22 GLN A 29 56.383 13.701 14.937 1.00 0.00 H new ATOM 722 N ILE A 30 50.790 11.531 17.075 1.00 0.00 N ATOM 723 CA ILE A 30 50.030 12.455 17.902 1.00 0.00 C ATOM 724 C ILE A 30 50.590 13.862 17.784 1.00 0.00 C ATOM 725 O ILE A 30 51.744 14.108 18.136 1.00 0.00 O ATOM 726 CB ILE A 30 50.075 12.045 19.391 1.00 0.00 C ATOM 727 CG1 ILE A 30 49.580 10.613 19.572 1.00 0.00 C ATOM 728 CG2 ILE A 30 49.246 13.009 20.238 1.00 0.00 C ATOM 729 CD1 ILE A 30 49.675 10.118 20.998 1.00 0.00 C ATOM 0 H ILE A 30 51.423 10.925 17.596 1.00 0.00 H new ATOM 0 HA ILE A 30 49.000 12.426 17.547 1.00 0.00 H new ATOM 0 HB ILE A 30 51.111 12.094 19.727 1.00 0.00 H new ATOM 0 HG12 ILE A 30 48.543 10.551 19.243 1.00 0.00 H new ATOM 0 HG13 ILE A 30 50.159 9.952 18.927 1.00 0.00 H new ATOM 0 HG21 ILE A 30 49.290 12.704 21.284 1.00 0.00 H new ATOM 0 HG22 ILE A 30 49.646 14.018 20.137 1.00 0.00 H new ATOM 0 HG23 ILE A 30 48.210 12.993 19.898 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.306 9.094 21.053 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.714 10.148 21.325 1.00 0.00 H new ATOM 0 HD13 ILE A 30 49.073 10.756 21.645 1.00 0.00 H new ATOM 741 N THR A 31 49.784 14.774 17.289 1.00 0.00 N ATOM 742 CA THR A 31 50.192 16.158 17.186 1.00 0.00 C ATOM 743 C THR A 31 49.473 17.019 18.218 1.00 0.00 C ATOM 744 O THR A 31 49.711 18.224 18.319 1.00 0.00 O ATOM 745 CB THR A 31 49.957 16.705 15.781 1.00 0.00 C ATOM 746 OG1 THR A 31 48.679 16.267 15.287 1.00 0.00 O ATOM 747 CG2 THR A 31 51.061 16.252 14.838 1.00 0.00 C ATOM 0 H THR A 31 48.841 14.583 16.951 1.00 0.00 H new ATOM 0 HA THR A 31 51.262 16.197 17.389 1.00 0.00 H new ATOM 0 HB THR A 31 49.967 17.794 15.829 1.00 0.00 H new ATOM 0 HG1 THR A 31 48.790 15.871 14.398 1.00 0.00 H new ATOM 0 HG21 THR A 31 50.875 16.652 13.841 1.00 0.00 H new ATOM 0 HG22 THR A 31 52.022 16.615 15.202 1.00 0.00 H new ATOM 0 HG23 THR A 31 51.078 15.163 14.794 1.00 0.00 H new ATOM 755 N GLY A 32 48.598 16.389 18.989 1.00 0.00 N ATOM 756 CA GLY A 32 47.883 17.092 20.025 1.00 0.00 C ATOM 757 C GLY A 32 46.680 16.320 20.510 1.00 0.00 C ATOM 758 O GLY A 32 46.330 15.283 19.944 1.00 0.00 O ATOM 0 H GLY A 32 48.372 15.397 18.911 1.00 0.00 H new ATOM 0 HA2 GLY A 32 48.554 17.281 20.863 1.00 0.00 H new ATOM 0 HA3 GLY A 32 47.562 18.063 19.648 1.00 0.00 H new ATOM 762 N PHE A 33 46.059 16.810 21.559 1.00 0.00 N ATOM 763 CA PHE A 33 44.864 16.192 22.108 1.00 0.00 C ATOM 764 C PHE A 33 43.657 17.031 21.753 1.00 0.00 C ATOM 765 O PHE A 33 43.786 18.225 21.483 1.00 0.00 O ATOM 766 CB PHE A 33 44.970 16.050 23.629 1.00 0.00 C ATOM 767 CG PHE A 33 45.958 15.012 24.084 1.00 0.00 C ATOM 768 CD1 PHE A 33 45.557 13.702 24.277 1.00 0.00 C ATOM 769 CD2 PHE A 33 47.281 15.347 24.324 1.00 0.00 C ATOM 770 CE1 PHE A 33 46.454 12.742 24.700 1.00 0.00 C ATOM 771 CE2 PHE A 33 48.185 14.390 24.749 1.00 0.00 C ATOM 772 CZ PHE A 33 47.768 13.085 24.936 1.00 0.00 C ATOM 0 H PHE A 33 46.364 17.646 22.058 1.00 0.00 H new ATOM 0 HA PHE A 33 44.759 15.195 21.680 1.00 0.00 H new ATOM 0 HB2 PHE A 33 45.251 17.014 24.054 1.00 0.00 H new ATOM 0 HB3 PHE A 33 43.987 15.800 24.029 1.00 0.00 H new ATOM 0 HD1 PHE A 33 44.529 13.427 24.094 1.00 0.00 H new ATOM 0 HD2 PHE A 33 47.610 16.365 24.178 1.00 0.00 H new ATOM 0 HE1 PHE A 33 46.127 11.723 24.846 1.00 0.00 H new ATOM 0 HE2 PHE A 33 49.214 14.661 24.934 1.00 0.00 H new ATOM 0 HZ PHE A 33 48.471 12.335 25.267 1.00 0.00 H new ATOM 782 N LYS A 34 42.493 16.429 21.748 1.00 0.00 N ATOM 783 CA LYS A 34 41.294 17.154 21.405 1.00 0.00 C ATOM 784 C LYS A 34 40.253 17.034 22.496 1.00 0.00 C ATOM 785 O LYS A 34 39.975 15.937 22.983 1.00 0.00 O ATOM 786 CB LYS A 34 40.699 16.645 20.092 1.00 0.00 C ATOM 787 CG LYS A 34 39.587 17.531 19.567 1.00 0.00 C ATOM 788 CD LYS A 34 38.722 16.820 18.545 1.00 0.00 C ATOM 789 CE LYS A 34 37.582 17.715 18.077 1.00 0.00 C ATOM 790 NZ LYS A 34 36.756 18.211 19.214 1.00 0.00 N ATOM 0 H LYS A 34 42.350 15.445 21.976 1.00 0.00 H new ATOM 0 HA LYS A 34 41.576 18.201 21.290 1.00 0.00 H new ATOM 0 HB2 LYS A 34 41.488 16.578 19.343 1.00 0.00 H new ATOM 0 HB3 LYS A 34 40.314 15.636 20.240 1.00 0.00 H new ATOM 0 HG2 LYS A 34 38.965 17.862 20.399 1.00 0.00 H new ATOM 0 HG3 LYS A 34 40.019 18.424 19.116 1.00 0.00 H new ATOM 0 HD2 LYS A 34 39.331 16.524 17.691 1.00 0.00 H new ATOM 0 HD3 LYS A 34 38.317 15.906 18.979 1.00 0.00 H new ATOM 0 HE2 LYS A 34 37.990 18.564 17.528 1.00 0.00 H new ATOM 0 HE3 LYS A 34 36.949 17.162 17.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 35.748 18.134 18.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 36.952 17.640 20.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 36.990 19.206 19.405 1.00 0.00 H new ATOM 804 N MET A 35 39.683 18.160 22.882 1.00 0.00 N ATOM 805 CA MET A 35 38.606 18.163 23.849 1.00 0.00 C ATOM 806 C MET A 35 37.366 17.544 23.210 1.00 0.00 C ATOM 807 O MET A 35 36.962 17.936 22.109 1.00 0.00 O ATOM 808 CB MET A 35 38.313 19.593 24.345 1.00 0.00 C ATOM 809 CG MET A 35 37.949 20.574 23.238 1.00 0.00 C ATOM 810 SD MET A 35 37.661 22.246 23.844 1.00 0.00 S ATOM 811 CE MET A 35 37.338 23.099 22.302 1.00 0.00 C ATOM 0 H MET A 35 39.949 19.083 22.540 1.00 0.00 H new ATOM 0 HA MET A 35 38.899 17.573 24.717 1.00 0.00 H new ATOM 0 HB2 MET A 35 37.496 19.556 25.065 1.00 0.00 H new ATOM 0 HB3 MET A 35 39.188 19.969 24.875 1.00 0.00 H new ATOM 0 HG2 MET A 35 38.751 20.594 22.500 1.00 0.00 H new ATOM 0 HG3 MET A 35 37.054 20.220 22.726 1.00 0.00 H new ATOM 0 HE1 MET A 35 37.140 24.152 22.503 1.00 0.00 H new ATOM 0 HE2 MET A 35 38.206 23.012 21.649 1.00 0.00 H new ATOM 0 HE3 MET A 35 36.471 22.653 21.814 1.00 0.00 H new ATOM 821 N THR A 36 36.796 16.560 23.867 1.00 0.00 N ATOM 822 CA THR A 36 35.643 15.868 23.333 1.00 0.00 C ATOM 823 C THR A 36 34.564 15.694 24.384 1.00 0.00 C ATOM 824 O THR A 36 34.842 15.276 25.504 1.00 0.00 O ATOM 825 CB THR A 36 36.039 14.478 22.791 1.00 0.00 C ATOM 826 OG1 THR A 36 36.875 13.806 23.746 1.00 0.00 O ATOM 827 CG2 THR A 36 36.775 14.593 21.462 1.00 0.00 C ATOM 0 H THR A 36 37.112 16.219 24.775 1.00 0.00 H new ATOM 0 HA THR A 36 35.253 16.481 22.521 1.00 0.00 H new ATOM 0 HB THR A 36 35.126 13.905 22.629 1.00 0.00 H new ATOM 0 HG1 THR A 36 36.341 13.555 24.529 1.00 0.00 H new ATOM 0 HG21 THR A 36 37.041 13.598 21.106 1.00 0.00 H new ATOM 0 HG22 THR A 36 36.131 15.080 20.730 1.00 0.00 H new ATOM 0 HG23 THR A 36 37.681 15.184 21.598 1.00 0.00 H new ATOM 835 N ASP A 37 33.343 16.033 24.027 1.00 0.00 N ATOM 836 CA ASP A 37 32.212 15.832 24.914 1.00 0.00 C ATOM 837 C ASP A 37 31.617 14.468 24.662 1.00 0.00 C ATOM 838 O ASP A 37 31.301 14.121 23.523 1.00 0.00 O ATOM 839 CB ASP A 37 31.165 16.928 24.736 1.00 0.00 C ATOM 840 CG ASP A 37 31.583 18.231 25.380 1.00 0.00 C ATOM 841 OD1 ASP A 37 31.334 18.407 26.591 1.00 0.00 O ATOM 842 OD2 ASP A 37 32.158 19.089 24.689 1.00 0.00 O ATOM 0 H ASP A 37 33.106 16.450 23.127 1.00 0.00 H new ATOM 0 HA ASP A 37 32.559 15.886 25.946 1.00 0.00 H new ATOM 0 HB2 ASP A 37 30.990 17.091 23.673 1.00 0.00 H new ATOM 0 HB3 ASP A 37 30.220 16.598 25.168 1.00 0.00 H new ATOM 847 N GLY A 38 31.479 13.695 25.715 1.00 0.00 N ATOM 848 CA GLY A 38 31.025 12.333 25.577 1.00 0.00 C ATOM 849 C GLY A 38 32.208 11.406 25.635 1.00 0.00 C ATOM 850 O GLY A 38 33.233 11.682 25.003 1.00 0.00 O ATOM 0 H GLY A 38 31.674 13.986 26.673 1.00 0.00 H new ATOM 0 HA2 GLY A 38 30.319 12.091 26.372 1.00 0.00 H new ATOM 0 HA3 GLY A 38 30.496 12.208 24.632 1.00 0.00 H new ATOM 854 N SER A 39 32.088 10.315 26.390 1.00 0.00 N ATOM 855 CA SER A 39 33.211 9.408 26.604 1.00 0.00 C ATOM 856 C SER A 39 34.330 10.162 27.343 1.00 0.00 C ATOM 857 O SER A 39 34.051 11.057 28.158 1.00 0.00 O ATOM 858 CB SER A 39 33.716 8.831 25.264 1.00 0.00 C ATOM 859 OG SER A 39 32.683 8.131 24.585 1.00 0.00 O ATOM 0 H SER A 39 31.227 10.040 26.862 1.00 0.00 H new ATOM 0 HA SER A 39 32.886 8.565 27.214 1.00 0.00 H new ATOM 0 HB2 SER A 39 34.087 9.639 24.634 1.00 0.00 H new ATOM 0 HB3 SER A 39 34.555 8.159 25.447 1.00 0.00 H new ATOM 0 HG SER A 39 33.029 7.777 23.739 1.00 0.00 H new ATOM 865 N GLY A 40 35.571 9.813 27.078 1.00 0.00 N ATOM 866 CA GLY A 40 36.670 10.491 27.720 1.00 0.00 C ATOM 867 C GLY A 40 37.223 11.618 26.870 1.00 0.00 C ATOM 868 O GLY A 40 36.509 12.571 26.537 1.00 0.00 O ATOM 0 H GLY A 40 35.839 9.072 26.430 1.00 0.00 H new ATOM 0 HA2 GLY A 40 36.338 10.890 28.678 1.00 0.00 H new ATOM 0 HA3 GLY A 40 37.464 9.774 27.931 1.00 0.00 H new ATOM 872 N VAL A 41 38.485 11.504 26.503 1.00 0.00 N ATOM 873 CA VAL A 41 39.156 12.526 25.713 1.00 0.00 C ATOM 874 C VAL A 41 39.544 11.972 24.333 1.00 0.00 C ATOM 875 O VAL A 41 39.653 10.750 24.150 1.00 0.00 O ATOM 876 CB VAL A 41 40.427 13.042 26.447 1.00 0.00 C ATOM 877 CG1 VAL A 41 41.025 14.254 25.746 1.00 0.00 C ATOM 878 CG2 VAL A 41 40.108 13.368 27.896 1.00 0.00 C ATOM 0 H VAL A 41 39.074 10.706 26.741 1.00 0.00 H new ATOM 0 HA VAL A 41 38.464 13.358 25.580 1.00 0.00 H new ATOM 0 HB VAL A 41 41.171 12.246 26.422 1.00 0.00 H new ATOM 0 HG11 VAL A 41 41.911 14.587 26.287 1.00 0.00 H new ATOM 0 HG12 VAL A 41 41.302 13.985 24.727 1.00 0.00 H new ATOM 0 HG13 VAL A 41 40.291 15.059 25.722 1.00 0.00 H new ATOM 0 HG21 VAL A 41 41.008 13.728 28.395 1.00 0.00 H new ATOM 0 HG22 VAL A 41 39.339 14.140 27.935 1.00 0.00 H new ATOM 0 HG23 VAL A 41 39.748 12.471 28.400 1.00 0.00 H new ATOM 888 N GLY A 42 39.725 12.867 23.369 1.00 0.00 N ATOM 889 CA GLY A 42 40.117 12.465 22.044 1.00 0.00 C ATOM 890 C GLY A 42 41.535 12.895 21.721 1.00 0.00 C ATOM 891 O GLY A 42 42.080 13.799 22.358 1.00 0.00 O ATOM 0 H GLY A 42 39.604 13.873 23.490 1.00 0.00 H new ATOM 0 HA2 GLY A 42 40.036 11.382 21.954 1.00 0.00 H new ATOM 0 HA3 GLY A 42 39.431 12.897 21.315 1.00 0.00 H new ATOM 895 N VAL A 43 42.125 12.258 20.740 1.00 0.00 N ATOM 896 CA VAL A 43 43.488 12.544 20.335 1.00 0.00 C ATOM 897 C VAL A 43 43.532 12.909 18.855 1.00 0.00 C ATOM 898 O VAL A 43 42.880 12.267 18.033 1.00 0.00 O ATOM 899 CB VAL A 43 44.401 11.313 20.573 1.00 0.00 C ATOM 900 CG1 VAL A 43 45.849 11.635 20.244 1.00 0.00 C ATOM 901 CG2 VAL A 43 44.273 10.817 22.005 1.00 0.00 C ATOM 0 H VAL A 43 41.675 11.523 20.195 1.00 0.00 H new ATOM 0 HA VAL A 43 43.847 13.381 20.934 1.00 0.00 H new ATOM 0 HB VAL A 43 44.073 10.518 19.904 1.00 0.00 H new ATOM 0 HG11 VAL A 43 46.467 10.754 20.420 1.00 0.00 H new ATOM 0 HG12 VAL A 43 45.927 11.930 19.198 1.00 0.00 H new ATOM 0 HG13 VAL A 43 46.193 12.452 20.878 1.00 0.00 H new ATOM 0 HG21 VAL A 43 44.922 9.953 22.150 1.00 0.00 H new ATOM 0 HG22 VAL A 43 44.566 11.611 22.692 1.00 0.00 H new ATOM 0 HG23 VAL A 43 43.239 10.531 22.200 1.00 0.00 H new ATOM 911 N ILE A 44 44.287 13.944 18.519 1.00 0.00 N ATOM 912 CA ILE A 44 44.435 14.351 17.134 1.00 0.00 C ATOM 913 C ILE A 44 45.640 13.650 16.530 1.00 0.00 C ATOM 914 O ILE A 44 46.793 13.945 16.877 1.00 0.00 O ATOM 915 CB ILE A 44 44.588 15.882 16.988 1.00 0.00 C ATOM 916 CG1 ILE A 44 43.374 16.588 17.596 1.00 0.00 C ATOM 917 CG2 ILE A 44 44.751 16.264 15.518 1.00 0.00 C ATOM 918 CD1 ILE A 44 43.422 18.096 17.479 1.00 0.00 C ATOM 0 H ILE A 44 44.805 14.515 19.187 1.00 0.00 H new ATOM 0 HA ILE A 44 43.527 14.065 16.603 1.00 0.00 H new ATOM 0 HB ILE A 44 45.482 16.200 17.524 1.00 0.00 H new ATOM 0 HG12 ILE A 44 42.471 16.224 17.107 1.00 0.00 H new ATOM 0 HG13 ILE A 44 43.297 16.317 18.649 1.00 0.00 H new ATOM 0 HG21 ILE A 44 44.857 17.345 15.433 1.00 0.00 H new ATOM 0 HG22 ILE A 44 45.639 15.779 15.112 1.00 0.00 H new ATOM 0 HG23 ILE A 44 43.873 15.941 14.959 1.00 0.00 H new ATOM 0 HD11 ILE A 44 42.528 18.525 17.932 1.00 0.00 H new ATOM 0 HD12 ILE A 44 44.306 18.473 17.993 1.00 0.00 H new ATOM 0 HD13 ILE A 44 43.466 18.378 16.427 1.00 0.00 H new ATOM 930 N VAL A 45 45.372 12.717 15.647 1.00 0.00 N ATOM 931 CA VAL A 45 46.410 11.914 15.052 1.00 0.00 C ATOM 932 C VAL A 45 46.670 12.322 13.609 1.00 0.00 C ATOM 933 O VAL A 45 45.753 12.369 12.789 1.00 0.00 O ATOM 934 CB VAL A 45 46.033 10.416 15.089 1.00 0.00 C ATOM 935 CG1 VAL A 45 47.176 9.557 14.576 1.00 0.00 C ATOM 936 CG2 VAL A 45 45.627 9.994 16.494 1.00 0.00 C ATOM 0 H VAL A 45 44.431 12.495 15.323 1.00 0.00 H new ATOM 0 HA VAL A 45 47.316 12.079 15.636 1.00 0.00 H new ATOM 0 HB VAL A 45 45.177 10.267 14.431 1.00 0.00 H new ATOM 0 HG11 VAL A 45 46.886 8.507 14.612 1.00 0.00 H new ATOM 0 HG12 VAL A 45 47.407 9.835 13.548 1.00 0.00 H new ATOM 0 HG13 VAL A 45 48.056 9.712 15.200 1.00 0.00 H new ATOM 0 HG21 VAL A 45 45.366 8.936 16.495 1.00 0.00 H new ATOM 0 HG22 VAL A 45 46.458 10.164 17.179 1.00 0.00 H new ATOM 0 HG23 VAL A 45 44.766 10.580 16.815 1.00 0.00 H new ATOM 946 N THR A 46 47.910 12.631 13.313 1.00 0.00 N ATOM 947 CA THR A 46 48.316 12.942 11.968 1.00 0.00 C ATOM 948 C THR A 46 48.786 11.656 11.294 1.00 0.00 C ATOM 949 O THR A 46 49.812 11.084 11.669 1.00 0.00 O ATOM 950 CB THR A 46 49.439 13.993 11.961 1.00 0.00 C ATOM 951 OG1 THR A 46 49.022 15.131 12.736 1.00 0.00 O ATOM 952 CG2 THR A 46 49.755 14.437 10.539 1.00 0.00 C ATOM 0 H THR A 46 48.664 12.673 13.999 1.00 0.00 H new ATOM 0 HA THR A 46 47.471 13.362 11.422 1.00 0.00 H new ATOM 0 HB THR A 46 50.337 13.552 12.393 1.00 0.00 H new ATOM 0 HG1 THR A 46 49.445 15.941 12.382 1.00 0.00 H new ATOM 0 HG21 THR A 46 50.552 15.180 10.559 1.00 0.00 H new ATOM 0 HG22 THR A 46 50.076 13.576 9.952 1.00 0.00 H new ATOM 0 HG23 THR A 46 48.864 14.872 10.087 1.00 0.00 H new ATOM 960 N PHE A 47 48.020 11.196 10.332 1.00 0.00 N ATOM 961 CA PHE A 47 48.284 9.923 9.684 1.00 0.00 C ATOM 962 C PHE A 47 49.244 10.039 8.515 1.00 0.00 C ATOM 963 O PHE A 47 49.660 11.138 8.127 1.00 0.00 O ATOM 964 CB PHE A 47 46.978 9.296 9.221 1.00 0.00 C ATOM 965 CG PHE A 47 46.122 8.820 10.346 1.00 0.00 C ATOM 966 CD1 PHE A 47 45.212 9.666 10.949 1.00 0.00 C ATOM 967 CD2 PHE A 47 46.232 7.519 10.807 1.00 0.00 C ATOM 968 CE1 PHE A 47 44.428 9.226 11.990 1.00 0.00 C ATOM 969 CE2 PHE A 47 45.451 7.074 11.846 1.00 0.00 C ATOM 970 CZ PHE A 47 44.546 7.929 12.437 1.00 0.00 C ATOM 0 H PHE A 47 47.200 11.687 9.975 1.00 0.00 H new ATOM 0 HA PHE A 47 48.765 9.285 10.426 1.00 0.00 H new ATOM 0 HB2 PHE A 47 46.421 10.025 8.633 1.00 0.00 H new ATOM 0 HB3 PHE A 47 47.199 8.457 8.561 1.00 0.00 H new ATOM 0 HD1 PHE A 47 45.115 10.683 10.600 1.00 0.00 H new ATOM 0 HD2 PHE A 47 46.940 6.847 10.345 1.00 0.00 H new ATOM 0 HE1 PHE A 47 43.721 9.897 12.456 1.00 0.00 H new ATOM 0 HE2 PHE A 47 45.546 6.058 12.198 1.00 0.00 H new ATOM 0 HZ PHE A 47 43.928 7.581 13.252 1.00 0.00 H new ATOM 980 N ASP A 48 49.572 8.884 7.938 1.00 0.00 N ATOM 981 CA ASP A 48 50.478 8.800 6.799 1.00 0.00 C ATOM 982 C ASP A 48 49.823 9.395 5.561 1.00 0.00 C ATOM 983 O ASP A 48 50.492 9.751 4.592 1.00 0.00 O ATOM 984 CB ASP A 48 50.876 7.348 6.558 1.00 0.00 C ATOM 985 CG ASP A 48 51.914 7.188 5.465 1.00 0.00 C ATOM 986 OD1 ASP A 48 53.109 7.452 5.729 1.00 0.00 O ATOM 987 OD2 ASP A 48 51.549 6.765 4.347 1.00 0.00 O ATOM 0 H ASP A 48 49.215 7.980 8.249 1.00 0.00 H new ATOM 0 HA ASP A 48 51.379 9.374 7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 48 51.265 6.926 7.485 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.988 6.773 6.294 1.00 0.00 H new ATOM 992 N ASP A 49 48.497 9.517 5.619 1.00 0.00 N ATOM 993 CA ASP A 49 47.716 10.142 4.553 1.00 0.00 C ATOM 994 C ASP A 49 47.949 11.647 4.538 1.00 0.00 C ATOM 995 O ASP A 49 47.403 12.361 3.699 1.00 0.00 O ATOM 996 CB ASP A 49 46.216 9.867 4.740 1.00 0.00 C ATOM 997 CG ASP A 49 45.826 8.434 4.455 1.00 0.00 C ATOM 998 OD1 ASP A 49 45.624 8.088 3.269 1.00 0.00 O ATOM 999 OD2 ASP A 49 45.690 7.647 5.410 1.00 0.00 O ATOM 0 H ASP A 49 47.936 9.186 6.404 1.00 0.00 H new ATOM 0 HA ASP A 49 48.042 9.712 3.606 1.00 0.00 H new ATOM 0 HB2 ASP A 49 45.934 10.116 5.763 1.00 0.00 H new ATOM 0 HB3 ASP A 49 45.649 10.527 4.084 1.00 0.00 H new ATOM 1004 N ARG A 50 48.758 12.121 5.502 1.00 0.00 N ATOM 1005 CA ARG A 50 49.098 13.542 5.652 1.00 0.00 C ATOM 1006 C ARG A 50 47.892 14.334 6.130 1.00 0.00 C ATOM 1007 O ARG A 50 47.854 15.563 6.048 1.00 0.00 O ATOM 1008 CB ARG A 50 49.669 14.127 4.346 1.00 0.00 C ATOM 1009 CG ARG A 50 50.885 13.376 3.815 1.00 0.00 C ATOM 1010 CD ARG A 50 51.989 13.289 4.858 1.00 0.00 C ATOM 1011 NE ARG A 50 53.105 12.462 4.408 1.00 0.00 N ATOM 1012 CZ ARG A 50 53.758 11.587 5.184 1.00 0.00 C ATOM 1013 NH1 ARG A 50 53.392 11.407 6.453 1.00 0.00 N ATOM 1014 NH2 ARG A 50 54.769 10.895 4.692 1.00 0.00 N ATOM 0 H ARG A 50 49.196 11.522 6.202 1.00 0.00 H new ATOM 0 HA ARG A 50 49.878 13.622 6.409 1.00 0.00 H new ATOM 0 HB2 ARG A 50 48.889 14.121 3.585 1.00 0.00 H new ATOM 0 HB3 ARG A 50 49.942 15.169 4.514 1.00 0.00 H new ATOM 0 HG2 ARG A 50 50.589 12.371 3.513 1.00 0.00 H new ATOM 0 HG3 ARG A 50 51.263 13.878 2.925 1.00 0.00 H new ATOM 0 HD2 ARG A 50 52.350 14.291 5.087 1.00 0.00 H new ATOM 0 HD3 ARG A 50 51.583 12.878 5.782 1.00 0.00 H new ATOM 0 HE ARG A 50 53.407 12.557 3.438 1.00 0.00 H new ATOM 0 HH11 ARG A 50 52.610 11.937 6.838 1.00 0.00 H new ATOM 0 HH12 ARG A 50 53.893 10.739 7.039 1.00 0.00 H new ATOM 0 HH21 ARG A 50 55.053 11.027 3.721 1.00 0.00 H new ATOM 0 HH22 ARG A 50 55.266 10.229 5.283 1.00 0.00 H new ATOM 1028 N SER A 51 46.919 13.621 6.642 1.00 0.00 N ATOM 1029 CA SER A 51 45.721 14.220 7.161 1.00 0.00 C ATOM 1030 C SER A 51 45.634 13.980 8.667 1.00 0.00 C ATOM 1031 O SER A 51 46.040 12.922 9.160 1.00 0.00 O ATOM 1032 CB SER A 51 44.505 13.629 6.452 1.00 0.00 C ATOM 1033 OG SER A 51 44.647 13.724 5.041 1.00 0.00 O ATOM 0 H SER A 51 46.939 12.603 6.709 1.00 0.00 H new ATOM 0 HA SER A 51 45.743 15.295 6.982 1.00 0.00 H new ATOM 0 HB2 SER A 51 44.382 12.585 6.740 1.00 0.00 H new ATOM 0 HB3 SER A 51 43.604 14.155 6.767 1.00 0.00 H new ATOM 0 HG SER A 51 43.858 13.338 4.606 1.00 0.00 H new ATOM 1039 N SER A 52 45.142 14.962 9.390 1.00 0.00 N ATOM 1040 CA SER A 52 44.988 14.840 10.822 1.00 0.00 C ATOM 1041 C SER A 52 43.545 14.511 11.161 1.00 0.00 C ATOM 1042 O SER A 52 42.624 15.222 10.748 1.00 0.00 O ATOM 1043 CB SER A 52 45.417 16.137 11.504 1.00 0.00 C ATOM 1044 OG SER A 52 44.729 17.249 10.951 1.00 0.00 O ATOM 0 H SER A 52 44.841 15.858 9.007 1.00 0.00 H new ATOM 0 HA SER A 52 45.623 14.031 11.184 1.00 0.00 H new ATOM 0 HB2 SER A 52 45.216 16.074 12.573 1.00 0.00 H new ATOM 0 HB3 SER A 52 46.492 16.275 11.389 1.00 0.00 H new ATOM 0 HG SER A 52 43.807 16.992 10.740 1.00 0.00 H new ATOM 1050 N THR A 53 43.349 13.446 11.898 1.00 0.00 N ATOM 1051 CA THR A 53 42.024 13.018 12.276 1.00 0.00 C ATOM 1052 C THR A 53 41.988 12.712 13.766 1.00 0.00 C ATOM 1053 O THR A 53 42.965 12.210 14.327 1.00 0.00 O ATOM 1054 CB THR A 53 41.605 11.769 11.467 1.00 0.00 C ATOM 1055 OG1 THR A 53 41.844 12.002 10.070 1.00 0.00 O ATOM 1056 CG2 THR A 53 40.131 11.444 11.672 1.00 0.00 C ATOM 0 H THR A 53 44.100 12.853 12.252 1.00 0.00 H new ATOM 0 HA THR A 53 41.321 13.821 12.057 1.00 0.00 H new ATOM 0 HB THR A 53 42.197 10.924 11.818 1.00 0.00 H new ATOM 0 HG1 THR A 53 41.580 11.210 9.556 1.00 0.00 H new ATOM 0 HG21 THR A 53 39.869 10.561 11.090 1.00 0.00 H new ATOM 0 HG22 THR A 53 39.945 11.251 12.728 1.00 0.00 H new ATOM 0 HG23 THR A 53 39.523 12.288 11.345 1.00 0.00 H new ATOM 1064 N TRP A 54 40.885 13.033 14.406 1.00 0.00 N ATOM 1065 CA TRP A 54 40.750 12.813 15.829 1.00 0.00 C ATOM 1066 C TRP A 54 40.120 11.457 16.121 1.00 0.00 C ATOM 1067 O TRP A 54 39.146 11.059 15.485 1.00 0.00 O ATOM 1068 CB TRP A 54 39.940 13.946 16.484 1.00 0.00 C ATOM 1069 CG TRP A 54 38.547 14.096 15.940 1.00 0.00 C ATOM 1070 CD1 TRP A 54 38.183 14.677 14.759 1.00 0.00 C ATOM 1071 CD2 TRP A 54 37.330 13.665 16.565 1.00 0.00 C ATOM 1072 NE1 TRP A 54 36.821 14.621 14.606 1.00 0.00 N ATOM 1073 CE2 TRP A 54 36.274 14.009 15.702 1.00 0.00 C ATOM 1074 CE3 TRP A 54 37.034 13.019 17.770 1.00 0.00 C ATOM 1075 CZ2 TRP A 54 34.943 13.728 16.003 1.00 0.00 C ATOM 1076 CZ3 TRP A 54 35.714 12.741 18.069 1.00 0.00 C ATOM 1077 CH2 TRP A 54 34.682 13.095 17.189 1.00 0.00 C ATOM 0 H TRP A 54 40.066 13.449 13.962 1.00 0.00 H new ATOM 0 HA TRP A 54 41.750 12.815 16.262 1.00 0.00 H new ATOM 0 HB2 TRP A 54 39.882 13.764 17.557 1.00 0.00 H new ATOM 0 HB3 TRP A 54 40.475 14.886 16.349 1.00 0.00 H new ATOM 0 HD1 TRP A 54 38.868 15.117 14.049 1.00 0.00 H new ATOM 0 HE1 TRP A 54 36.300 14.978 13.805 1.00 0.00 H new ATOM 0 HE3 TRP A 54 37.823 12.743 18.454 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 34.146 13.999 15.326 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 35.473 12.243 18.996 1.00 0.00 H new ATOM 0 HH2 TRP A 54 33.660 12.864 17.452 1.00 0.00 H new ATOM 1088 N PHE A 55 40.705 10.754 17.065 1.00 0.00 N ATOM 1089 CA PHE A 55 40.215 9.458 17.504 1.00 0.00 C ATOM 1090 C PHE A 55 40.243 9.408 19.016 1.00 0.00 C ATOM 1091 O PHE A 55 40.941 10.197 19.644 1.00 0.00 O ATOM 1092 CB PHE A 55 41.071 8.328 16.924 1.00 0.00 C ATOM 1093 CG PHE A 55 40.795 8.042 15.474 1.00 0.00 C ATOM 1094 CD1 PHE A 55 39.777 7.178 15.112 1.00 0.00 C ATOM 1095 CD2 PHE A 55 41.547 8.634 14.476 1.00 0.00 C ATOM 1096 CE1 PHE A 55 39.513 6.910 13.786 1.00 0.00 C ATOM 1097 CE2 PHE A 55 41.286 8.369 13.146 1.00 0.00 C ATOM 1098 CZ PHE A 55 40.269 7.506 12.801 1.00 0.00 C ATOM 0 H PHE A 55 41.543 11.065 17.557 1.00 0.00 H new ATOM 0 HA PHE A 55 39.194 9.323 17.148 1.00 0.00 H new ATOM 0 HB2 PHE A 55 42.124 8.586 17.040 1.00 0.00 H new ATOM 0 HB3 PHE A 55 40.899 7.421 17.503 1.00 0.00 H new ATOM 0 HD1 PHE A 55 39.181 6.707 15.879 1.00 0.00 H new ATOM 0 HD2 PHE A 55 42.347 9.311 14.739 1.00 0.00 H new ATOM 0 HE1 PHE A 55 38.714 6.234 13.520 1.00 0.00 H new ATOM 0 HE2 PHE A 55 41.880 8.839 12.376 1.00 0.00 H new ATOM 0 HZ PHE A 55 40.065 7.297 11.761 1.00 0.00 H new ATOM 1108 N PHE A 56 39.493 8.508 19.607 1.00 0.00 N ATOM 1109 CA PHE A 56 39.449 8.425 21.059 1.00 0.00 C ATOM 1110 C PHE A 56 40.681 7.725 21.637 1.00 0.00 C ATOM 1111 O PHE A 56 41.386 6.992 20.945 1.00 0.00 O ATOM 1112 CB PHE A 56 38.167 7.748 21.548 1.00 0.00 C ATOM 1113 CG PHE A 56 36.913 8.504 21.197 1.00 0.00 C ATOM 1114 CD1 PHE A 56 36.505 9.586 21.961 1.00 0.00 C ATOM 1115 CD2 PHE A 56 36.145 8.134 20.104 1.00 0.00 C ATOM 1116 CE1 PHE A 56 35.357 10.284 21.644 1.00 0.00 C ATOM 1117 CE2 PHE A 56 34.995 8.827 19.783 1.00 0.00 C ATOM 1118 CZ PHE A 56 34.599 9.904 20.553 1.00 0.00 C ATOM 0 H PHE A 56 38.910 7.829 19.118 1.00 0.00 H new ATOM 0 HA PHE A 56 39.452 9.452 21.425 1.00 0.00 H new ATOM 0 HB2 PHE A 56 38.109 6.747 21.120 1.00 0.00 H new ATOM 0 HB3 PHE A 56 38.219 7.630 22.630 1.00 0.00 H new ATOM 0 HD1 PHE A 56 37.093 9.887 22.816 1.00 0.00 H new ATOM 0 HD2 PHE A 56 36.450 7.294 19.497 1.00 0.00 H new ATOM 0 HE1 PHE A 56 35.052 11.126 22.248 1.00 0.00 H new ATOM 0 HE2 PHE A 56 34.405 8.527 18.930 1.00 0.00 H new ATOM 0 HZ PHE A 56 33.700 10.447 20.303 1.00 0.00 H new ATOM 1128 N GLU A 57 40.919 7.973 22.915 1.00 0.00 N ATOM 1129 CA GLU A 57 42.052 7.407 23.658 1.00 0.00 C ATOM 1130 C GLU A 57 42.084 5.866 23.596 1.00 0.00 C ATOM 1131 O GLU A 57 43.144 5.268 23.445 1.00 0.00 O ATOM 1132 CB GLU A 57 41.969 7.871 25.109 1.00 0.00 C ATOM 1133 CG GLU A 57 40.586 7.686 25.708 1.00 0.00 C ATOM 1134 CD GLU A 57 40.457 8.217 27.115 1.00 0.00 C ATOM 1135 OE1 GLU A 57 41.172 7.729 28.011 1.00 0.00 O ATOM 1136 OE2 GLU A 57 39.625 9.123 27.333 1.00 0.00 O ATOM 0 H GLU A 57 40.327 8.581 23.481 1.00 0.00 H new ATOM 0 HA GLU A 57 42.973 7.761 23.195 1.00 0.00 H new ATOM 0 HB2 GLU A 57 42.695 7.318 25.705 1.00 0.00 H new ATOM 0 HB3 GLU A 57 42.247 8.924 25.165 1.00 0.00 H new ATOM 0 HG2 GLU A 57 39.855 8.186 25.072 1.00 0.00 H new ATOM 0 HG3 GLU A 57 40.338 6.625 25.706 1.00 0.00 H new ATOM 1143 N ASP A 58 40.917 5.239 23.718 1.00 0.00 N ATOM 1144 CA ASP A 58 40.811 3.770 23.695 1.00 0.00 C ATOM 1145 C ASP A 58 40.732 3.258 22.260 1.00 0.00 C ATOM 1146 O ASP A 58 40.918 2.072 21.986 1.00 0.00 O ATOM 1147 CB ASP A 58 39.566 3.331 24.486 1.00 0.00 C ATOM 1148 CG ASP A 58 39.316 1.837 24.433 1.00 0.00 C ATOM 1149 OD1 ASP A 58 39.931 1.099 25.232 1.00 0.00 O ATOM 1150 OD2 ASP A 58 38.489 1.395 23.603 1.00 0.00 O ATOM 0 H ASP A 58 40.025 5.720 23.834 1.00 0.00 H new ATOM 0 HA ASP A 58 41.701 3.345 24.159 1.00 0.00 H new ATOM 0 HB2 ASP A 58 39.679 3.636 25.526 1.00 0.00 H new ATOM 0 HB3 ASP A 58 38.693 3.852 24.094 1.00 0.00 H new ATOM 1155 N GLU A 59 40.498 4.174 21.358 1.00 0.00 N ATOM 1156 CA GLU A 59 40.317 3.870 19.954 1.00 0.00 C ATOM 1157 C GLU A 59 41.673 3.627 19.273 1.00 0.00 C ATOM 1158 O GLU A 59 41.764 2.931 18.248 1.00 0.00 O ATOM 1159 CB GLU A 59 39.577 5.051 19.331 1.00 0.00 C ATOM 1160 CG GLU A 59 39.023 4.844 17.950 1.00 0.00 C ATOM 1161 CD GLU A 59 37.856 5.771 17.695 1.00 0.00 C ATOM 1162 OE1 GLU A 59 38.054 7.000 17.754 1.00 0.00 O ATOM 1163 OE2 GLU A 59 36.732 5.271 17.469 1.00 0.00 O ATOM 0 H GLU A 59 40.426 5.168 21.576 1.00 0.00 H new ATOM 0 HA GLU A 59 39.738 2.956 19.823 1.00 0.00 H new ATOM 0 HB2 GLU A 59 38.754 5.324 19.991 1.00 0.00 H new ATOM 0 HB3 GLU A 59 40.257 5.902 19.301 1.00 0.00 H new ATOM 0 HG2 GLU A 59 39.803 5.022 17.210 1.00 0.00 H new ATOM 0 HG3 GLU A 59 38.703 3.809 17.833 1.00 0.00 H new ATOM 1170 N VAL A 60 42.729 4.163 19.870 1.00 0.00 N ATOM 1171 CA VAL A 60 44.073 4.019 19.329 1.00 0.00 C ATOM 1172 C VAL A 60 45.033 3.453 20.372 1.00 0.00 C ATOM 1173 O VAL A 60 44.855 3.662 21.572 1.00 0.00 O ATOM 1174 CB VAL A 60 44.633 5.375 18.815 1.00 0.00 C ATOM 1175 CG1 VAL A 60 43.778 5.916 17.688 1.00 0.00 C ATOM 1176 CG2 VAL A 60 44.729 6.393 19.947 1.00 0.00 C ATOM 0 H VAL A 60 42.680 4.704 20.733 1.00 0.00 H new ATOM 0 HA VAL A 60 43.997 3.325 18.492 1.00 0.00 H new ATOM 0 HB VAL A 60 45.638 5.197 18.432 1.00 0.00 H new ATOM 0 HG11 VAL A 60 44.188 6.865 17.344 1.00 0.00 H new ATOM 0 HG12 VAL A 60 43.770 5.204 16.863 1.00 0.00 H new ATOM 0 HG13 VAL A 60 42.760 6.069 18.045 1.00 0.00 H new ATOM 0 HG21 VAL A 60 45.124 7.332 19.559 1.00 0.00 H new ATOM 0 HG22 VAL A 60 43.738 6.562 20.369 1.00 0.00 H new ATOM 0 HG23 VAL A 60 45.394 6.013 20.723 1.00 0.00 H new ATOM 1186 N GLU A 61 46.034 2.722 19.913 1.00 0.00 N ATOM 1187 CA GLU A 61 47.058 2.198 20.801 1.00 0.00 C ATOM 1188 C GLU A 61 48.371 2.914 20.526 1.00 0.00 C ATOM 1189 O GLU A 61 48.608 3.367 19.403 1.00 0.00 O ATOM 1190 CB GLU A 61 47.228 0.682 20.633 1.00 0.00 C ATOM 1191 CG GLU A 61 47.818 0.256 19.297 1.00 0.00 C ATOM 1192 CD GLU A 61 48.097 -1.228 19.245 1.00 0.00 C ATOM 1193 OE1 GLU A 61 47.186 -1.998 18.879 1.00 0.00 O ATOM 1194 OE2 GLU A 61 49.228 -1.632 19.575 1.00 0.00 O ATOM 0 H GLU A 61 46.160 2.478 18.931 1.00 0.00 H new ATOM 0 HA GLU A 61 46.750 2.377 21.831 1.00 0.00 H new ATOM 0 HB2 GLU A 61 47.868 0.310 21.433 1.00 0.00 H new ATOM 0 HB3 GLU A 61 46.256 0.205 20.755 1.00 0.00 H new ATOM 0 HG2 GLU A 61 47.129 0.523 18.496 1.00 0.00 H new ATOM 0 HG3 GLU A 61 48.743 0.805 19.118 1.00 0.00 H new ATOM 1201 N VAL A 62 49.213 3.019 21.528 1.00 0.00 N ATOM 1202 CA VAL A 62 50.469 3.732 21.383 1.00 0.00 C ATOM 1203 C VAL A 62 51.589 2.796 20.963 1.00 0.00 C ATOM 1204 O VAL A 62 51.774 1.719 21.550 1.00 0.00 O ATOM 1205 CB VAL A 62 50.867 4.455 22.688 1.00 0.00 C ATOM 1206 CG1 VAL A 62 52.044 5.389 22.448 1.00 0.00 C ATOM 1207 CG2 VAL A 62 49.682 5.217 23.265 1.00 0.00 C ATOM 0 H VAL A 62 49.055 2.621 22.454 1.00 0.00 H new ATOM 0 HA VAL A 62 50.317 4.478 20.603 1.00 0.00 H new ATOM 0 HB VAL A 62 51.173 3.702 23.415 1.00 0.00 H new ATOM 0 HG11 VAL A 62 52.308 5.888 23.380 1.00 0.00 H new ATOM 0 HG12 VAL A 62 52.898 4.814 22.090 1.00 0.00 H new ATOM 0 HG13 VAL A 62 51.770 6.135 21.702 1.00 0.00 H new ATOM 0 HG21 VAL A 62 49.985 5.719 24.184 1.00 0.00 H new ATOM 0 HG22 VAL A 62 49.339 5.958 22.543 1.00 0.00 H new ATOM 0 HG23 VAL A 62 48.872 4.520 23.482 1.00 0.00 H new ATOM 1217 N VAL A 63 52.320 3.193 19.932 1.00 0.00 N ATOM 1218 CA VAL A 63 53.441 2.420 19.437 1.00 0.00 C ATOM 1219 C VAL A 63 54.598 3.362 19.111 1.00 0.00 C ATOM 1220 O VAL A 63 54.552 4.092 18.124 1.00 0.00 O ATOM 1221 CB VAL A 63 53.074 1.623 18.152 1.00 0.00 C ATOM 1222 CG1 VAL A 63 54.166 0.627 17.807 1.00 0.00 C ATOM 1223 CG2 VAL A 63 51.733 0.917 18.295 1.00 0.00 C ATOM 0 H VAL A 63 52.151 4.058 19.419 1.00 0.00 H new ATOM 0 HA VAL A 63 53.722 1.709 20.214 1.00 0.00 H new ATOM 0 HB VAL A 63 52.986 2.340 17.335 1.00 0.00 H new ATOM 0 HG11 VAL A 63 53.889 0.081 16.905 1.00 0.00 H new ATOM 0 HG12 VAL A 63 55.102 1.158 17.636 1.00 0.00 H new ATOM 0 HG13 VAL A 63 54.292 -0.074 18.632 1.00 0.00 H new ATOM 0 HG21 VAL A 63 51.510 0.371 17.379 1.00 0.00 H new ATOM 0 HG22 VAL A 63 51.776 0.220 19.132 1.00 0.00 H new ATOM 0 HG23 VAL A 63 50.951 1.654 18.477 1.00 0.00 H new ATOM 1233 N GLY A 64 55.623 3.340 19.930 1.00 0.00 N ATOM 1234 CA GLY A 64 56.757 4.207 19.713 1.00 0.00 C ATOM 1235 C GLY A 64 57.298 4.770 21.013 1.00 0.00 C ATOM 1236 O GLY A 64 58.518 5.013 21.097 1.00 0.00 O ATOM 1237 OXT GLY A 64 56.502 4.976 21.954 1.00 0.00 O ATOM 0 H GLY A 64 55.695 2.735 20.748 1.00 0.00 H new ATOM 0 HA2 GLY A 64 57.545 3.653 19.202 1.00 0.00 H new ATOM 0 HA3 GLY A 64 56.466 5.027 19.056 1.00 0.00 H new